Information card for entry 7705652

Structure parameters

• Formula: C58 H84 Mn2 N4 O2
• Calculated formula: C58 H84 Mn2 N4 O2
• Title of publication: The electronic structure of a β-diketiminate manganese hydride dimer.
• Authors of publication: Oh, Changjin; Siewe, Joëlle; Nguyen, Thao T.; Kawamura, Airi; Flores, Marco; Groy, Thomas L.; Anderson, John S.; Trovitch, Ryan J.; Baik, Mu-Hyun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14463 - 14474
• a: 22.969 ± 0.003 Å
• b: 14.6534 ± 0.0017 Å
• c: 16.1143 ± 0.0019 Å
• α: 90°
• β: 91.558 ± 0.002°
• γ: 90°
• Cell volume: 5421.6 ± 1.1 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No